N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine

C13H28ClN2O3P — CID 58463751

IUPACN-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine
SMILESCCCN(CCCl)P(=O)(OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H28ClN2O3P/c1-5-7-15(8-6-14)20(17,19-13(2,3)4)16-9-11-18-12-10-16/h5-12H2,1-4H3
InChIKeyYGYTZTCOAQESMX-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.19
Rot. Bonds7

About N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine

N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine (PubChem CID 58463751) has the molecular formula C13H28ClN2O3P and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine
PubChem CID58463751
Molecular FormulaC13H28ClN2O3P
Molecular Weight326.81 g/mol
Exact Mass326.15
IUPAC NameN-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine
SMILESCCCN(CCCl)P(=O)(OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H28ClN2O3P/c1-5-7-15(8-6-14)20(17,19-13(2,3)4)16-9-11-18-12-10-16/h5-12H2,1-4H3
InChIKeyYGYTZTCOAQESMX-UHFFFAOYSA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine (CID 58463751) is N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine is CCCN(CCCl)P(=O)(OC(C)(C)C)N1CCOCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine?
The InChIKey is YGYTZTCOAQESMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClN2O3P/c1-5-7-15(8-6-14)20(17,19-13(2,3)4)16-9-11-18-12-10-16/h5-12H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine?
N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine has a molecular weight of 326.81 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine is sourced from PubChem (CID 58463751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).